3-amino-N-carbamoyl-2-methyl-3-phenylpropanamide

C11H15N3O2 — CID 80552689

IUPAC3-amino-N-carbamoyl-2-methyl-3-phenylpropanamide
SMILESCC(C(=O)NC(N)=O)C(N)c1ccccc1
InChIInChI=1S/C11H15N3O2/c1-7(10(15)14-11(13)16)9(12)8-5-3-2-4-6-8/h2-7,9H,12H2,1H3,(H3,13,14,15,16)
InChIKeyRMJQWTXWRJZOIK-UHFFFAOYSA-N
MW221.26 g/mol
LogP0.52
Rot. Bonds3

About 3-amino-N-carbamoyl-2-methyl-3-phenylpropanamide

3-amino-N-carbamoyl-2-methyl-3-phenylpropanamide (PubChem CID 80552689) has the molecular formula C11H15N3O2 and a molecular weight of 221.26 g/mol. Its IUPAC name is 3-amino-N-carbamoyl-2-methyl-3-phenylpropanamide.

Molecular Properties

Compound Name3-amino-N-carbamoyl-2-methyl-3-phenylpropanamide
PubChem CID80552689
Molecular FormulaC11H15N3O2
Molecular Weight221.26 g/mol
Exact Mass221.12
IUPAC Name3-amino-N-carbamoyl-2-methyl-3-phenylpropanamide
SMILESCC(C(=O)NC(N)=O)C(N)c1ccccc1
InChIInChI=1S/C11H15N3O2/c1-7(10(15)14-11(13)16)9(12)8-5-3-2-4-6-8/h2-7,9H,12H2,1H3,(H3,13,14,15,16)
InChIKeyRMJQWTXWRJZOIK-UHFFFAOYSA-N
XLogP0.52
TPSA98.21 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500221.26
LogP ≤ 50.52
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

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Related Compounds

3-amino-2-methyl-3-phenyl-N-(1-phenylethyl)propanamide;hydrochloride
CID 119669700
methyl (2S)-2-[(3-amino-2-methyl-3-phenylpropanoyl)amino]propanoate;hydrochloride
CID 119772930
3-amino-N-(2-hydroxypropyl)-2-methyl-3-phenylpropanamide
CID 80551917
3-amino-N-(3-amino-2-hydroxy-3-oxopropyl)-2-methyl-3-phenylpropanamide
CID 106175749
2-(benzhydrylamino)-N-carbamoylpropanamide
CID 42915569
3-amino-N-butan-2-yl-2-methyl-3-phenylpropanamide;hydrochloride
CID 119669598
3-amino-2-methyl-3-phenyl-N-(2-phenylpropan-2-yl)propanamide;hydrochloride
CID 119709318
3-amino-N-ethylsulfonyl-2-methyl-3-phenylpropanamide
CID 103307056
3-amino-2-methyl-3-phenyl-N-(4-propan-2-yloxyphenyl)propanamide
CID 119707089
3-amino-N-(1-cyclopentylethyl)-2-methyl-3-phenylpropanamide
CID 80552136
3-amino-N-[(1R)-1-cyclohexylethyl]-2-methyl-3-phenylpropanamide
CID 81389040
3-amino-N-[(2S)-1-hydroxy-3-methylbutan-2-yl]-2-methyl-3-phenylpropanamide
CID 80552726

Frequently Asked Questions

What is the IUPAC name of 3-amino-N-carbamoyl-2-methyl-3-phenylpropanamide?
The IUPAC name of 3-amino-N-carbamoyl-2-methyl-3-phenylpropanamide (CID 80552689) is 3-amino-N-carbamoyl-2-methyl-3-phenylpropanamide.
What is the SMILES notation for 3-amino-N-carbamoyl-2-methyl-3-phenylpropanamide?
The canonical SMILES for 3-amino-N-carbamoyl-2-methyl-3-phenylpropanamide is CC(C(=O)NC(N)=O)C(N)c1ccccc1.
What is the InChIKey of 3-amino-N-carbamoyl-2-methyl-3-phenylpropanamide?
The InChIKey is RMJQWTXWRJZOIK-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H15N3O2/c1-7(10(15)14-11(13)16)9(12)8-5-3-2-4-6-8/h2-7,9H,12H2,1H3,(H3,13,14,15,16).
What are the key properties of 3-amino-N-carbamoyl-2-methyl-3-phenylpropanamide?
3-amino-N-carbamoyl-2-methyl-3-phenylpropanamide has a molecular weight of 221.26 g/mol, XLogP of 0.52, 3 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-amino-N-carbamoyl-2-methyl-3-phenylpropanamide is sourced from PubChem (CID 80552689), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).